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Substance Name: Isoschimawalin A
RN: 143201-45-0
InChIKey: QHUFBIOFLFOWEC-UHFFFAOYSA-N

Molecular Formula

  • C55-H34-O35

Molecular Weight

  • 1254.8386
 
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Names and Synonyms

Results Name

  • Isoschimawalin A

Synonym

  • Isoschimawalin A

Systematic Name

  • D-Glucose, cyclic 4-2:6-2'-((1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-((5,10-dihydro-3,7,8-trihydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)(1)benzopyran-2-yl)oxy)-3,4,5-trihydroxybenzoate)-3-(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 143201-45-0

System Generated Number

  • 0143201450

Structure Descriptors

InChI

1S/C55H34O35/c56-9-27(87-54(81)16-6-21(61)36(67)43(74)45(16)84-25-7-14-30-29-13(52(79)90-48(30)39(25)70)4-22(62)37(68)47(29)89-53(14)80)46(88-50(77)11-1-17(57)33(64)18(58)2-11)31-23(63)10-83-51(78)12-3-19(59)34(65)40(71)28(12)32-24(86-55(31)82)8-26(38(69)41(32)72)85-44-15(49(75)76)5-20(60)35(66)42(44)73/h1-9,23,27,31,46,57-74H,10H2,(H,75,76)

InChIKey

QHUFBIOFLFOWEC-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)OC(C2C(COC(=O)c3cc(c(c(c3-c4c(cc(c(c4O)O)Oc5c(cc(c(c5O)O)O)C(=O)O)OC2=O)O)O)O)O)C(C=O)OC(=O)c6cc(c(c(c6Oc7cc8c9c1c(cc(c(c1oc8=O)O)O)c(=O)oc9c7O)O)O)O